General Information of the Compound
| Compound ID |
CP0498690
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| Compound Name |
(1R)-N-ethyl-N-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]-4,5-dimethoxy-2,3-dihydro-1H-inden-1-amine
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| Structure |
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| Formula |
C31H35FN2O2
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| Molecular Weight |
486.631
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| Canonical SMILES |
CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)[C@@H]1CCc2c1ccc(OC)c2OC
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| InChI |
InChI=1S/C31H35FN2O2/c1-4-33(28-18-16-27-26(28)17-19-30(35-2)31(27)36-3)20-8-7-9-22-21-34(24-14-12-23(32)13-15-24)29-11-6-5-10-25(22)29/h5-6,10-15,17,19,21,28H,4,7-9,16,18,20H2,1-3H3/t28-/m1/s1
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| InChIKey |
NNWZEUSQZCLVDN-MUUNZHRXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound